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CHEBI:84305 - 2-carboxyhexacosanoyl-CoA

ChEBI IDCHEBI:84305
ChEBI Name2-carboxyhexacosanoyl-CoA
Stars
DefinitionA 2-carboxyacyl-CoA that results from the formal condensation of the thiol group of coenzyme A with one of the the carboxy groups of 2-carboxyhexacosanoic acid.
Last Modified15 January 2015
SubmitterSteve
DownloadsMolfile
FormulaC48H86N7O19P3S
Net Charge0
Average Mass1190.235
Monoisotopic Mass1189.49120
SMILESCCCCCCCCCCCCCCCCCCCCCCCCC(C(=O)O)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O
InChIInChI=1S/C48H86N7O19P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-35(46(60)61)47(62)78-30-29-50-37(56)27-28-51-44(59)41(58)48(2,3)32-71-77(68,69)74-76(66,67)70-31-36-40(73-75(63,64)65)39(57)45(72-36)55-34-54-38-42(49)52-33-53-43(38)55/h33-36,39-41,45,57-58H,4-32H2,1-3H3,(H,50,56)(H,51,59)(H,60,61)(H,66,67)(H,68,69)(H2,49,52,53)(H2,63,64,65)/t35?,36-,39-,40-,41+,45-/m1/s1
InChIKeyVUYDEKMWDHLSSI-RVNPWDOLSA-N
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
2-carboxyhexacosanoyl-CoA (CHEBI:84305) is a 2-carboxyacyl-CoA (CHEBI:84127)
2-carboxyhexacosanoyl-CoA (CHEBI:84305) is conjugate acid of 2-carboxyhexacosanoyl-CoA(5−) (CHEBI:83578)
Incoming Relation(s)
2-carboxyhexacosanoyl-CoA(5−) (CHEBI:83578) is conjugate base of 2-carboxyhexacosanoyl-CoA (CHEBI:84305)
IUPAC Name 
3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(2-carboxyhexacosanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}